物理和化学量子算法导论

M. Yung, J. Whitfield, S. Boixo, D. G. Tempel, A. Aspuru‐Guzik
{"title":"物理和化学量子算法导论","authors":"M. Yung, J. Whitfield, S. Boixo, D. G. Tempel, A. Aspuru‐Guzik","doi":"10.1002/9781118742631.ch03","DOIUrl":null,"url":null,"abstract":"An enormous number of model chemistries are used in computational chemistry to solve or approximately solve the Schrodinger equation; each with their own drawbacks. One key limitation is that the hardware used in computational chemistry is based on classical physics, and is often not well suited for simulating models in quantum physics. In this review, we focus on applications of quantum computation to chemical physics problems. We describe the algorithms that have been proposed for the electronic- structure problem, the simulation of chemical dynamics, thermal state preparation, density functional theory and adiabatic quantum simulation.","PeriodicalId":50874,"journal":{"name":"Advances in Chemical Physics","volume":"226 ","pages":"67-106"},"PeriodicalIF":0.0000,"publicationDate":"2012-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/9781118742631.ch03","citationCount":"57","resultStr":"{\"title\":\"Introduction to Quantum Algorithms for Physics and Chemistry\",\"authors\":\"M. Yung, J. Whitfield, S. Boixo, D. G. Tempel, A. Aspuru‐Guzik\",\"doi\":\"10.1002/9781118742631.ch03\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"An enormous number of model chemistries are used in computational chemistry to solve or approximately solve the Schrodinger equation; each with their own drawbacks. One key limitation is that the hardware used in computational chemistry is based on classical physics, and is often not well suited for simulating models in quantum physics. In this review, we focus on applications of quantum computation to chemical physics problems. We describe the algorithms that have been proposed for the electronic- structure problem, the simulation of chemical dynamics, thermal state preparation, density functional theory and adiabatic quantum simulation.\",\"PeriodicalId\":50874,\"journal\":{\"name\":\"Advances in Chemical Physics\",\"volume\":\"226 \",\"pages\":\"67-106\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2012-03-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1002/9781118742631.ch03\",\"citationCount\":\"57\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advances in Chemical Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1002/9781118742631.ch03\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advances in Chemical Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1002/9781118742631.ch03","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 57

摘要

计算化学中使用了大量的模型化学来求解或近似求解薛定谔方程;每一种都有自己的缺点。一个关键的限制是,计算化学中使用的硬件是基于经典物理的,通常不太适合模拟量子物理中的模型。本文主要介绍了量子计算在化学物理问题中的应用。我们描述了电子结构问题、化学动力学模拟、热态制备、密度泛函理论和绝热量子模拟的算法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Introduction to Quantum Algorithms for Physics and Chemistry
An enormous number of model chemistries are used in computational chemistry to solve or approximately solve the Schrodinger equation; each with their own drawbacks. One key limitation is that the hardware used in computational chemistry is based on classical physics, and is often not well suited for simulating models in quantum physics. In this review, we focus on applications of quantum computation to chemical physics problems. We describe the algorithms that have been proposed for the electronic- structure problem, the simulation of chemical dynamics, thermal state preparation, density functional theory and adiabatic quantum simulation.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Advances in Chemical Physics
Advances in Chemical Physics PHYSICS, ATOMIC, MOLECULAR & CHEMICAL-
自引率
0.00%
发文量
0
审稿时长
1.0 months
期刊介绍: A landmark in publishing and science, Advances in Chemical Physics is an international forum for the review and critical evaluation of the science that has propelled every area of the discipline. Each volume contains discussions of aspects of the state of diverse subjects in chemical physics and related fields, with chapters written by top researchers in the field from around the world. The series now comprises more than 150 volumes covering the period from the mid 1960’s to the present. Collectively, they represent the history of modern chemical physics. Discussions of all areas of chemical physics, with extensions to biophysics and soft matter physics can be found in these volumes.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信